CID 16683273

Nsc671443

Structural Information

Molecular Formula
C14H18Br2O2Sn
SMILES
C1CCCC(CC1)(C=O)O[Sn](C2=CC=CC=C2)(Br)Br
InChI
InChI=1S/C8H13O2.C6H5.2BrH.Sn/c9-7-8(10)5-3-1-2-4-6-8;1-2-4-6-5-3-1;;;/h7H,1-6H2;1-5H;2*1H;/q-1;;;;+3/p-2
InChIKey
SOCUQZDENQJZPG-UHFFFAOYSA-L
Compound name
1-[dibromo(phenyl)stannyl]oxycycloheptane-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

495.86957 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 496.87685 181.5
[M+Na]+ 518.85879 186.6
[M-H]- 494.86229 189.2
[M+NH4]+ 513.90339 196.6
[M+K]+ 534.83273 175.2
[M+H-H2O]+ 478.86683 189.1
[M+HCOO]- 540.86777 192.2
[M+CH3COO]- 554.88342 216.7
[M+Na-2H]- 516.84424 185.5
[M]+ 495.86902 209.2
[M]- 495.87012 209.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.